N-benzyl-2-bromo-N-(2-phenoxyphenyl)acetamide

C21H18BrNO2 — CID 71490575

IUPACN-benzyl-2-bromo-N-(2-phenoxyphenyl)acetamide
SMILESO=C(CBr)N(Cc1ccccc1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C21H18BrNO2/c22-15-21(24)23(16-17-9-3-1-4-10-17)19-13-7-8-14-20(19)25-18-11-5-2-6-12-18/h1-14H,15-16H2
InChIKeySWKJSBIKSDCNMA-UHFFFAOYSA-N
MW396.28 g/mol
LogP5.41
Rot. Bonds6

About N-benzyl-2-bromo-N-(2-phenoxyphenyl)acetamide

N-benzyl-2-bromo-N-(2-phenoxyphenyl)acetamide (PubChem CID 71490575) has the molecular formula C21H18BrNO2 and a molecular weight of 396.28 g/mol. Its IUPAC name is N-benzyl-2-bromo-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-bromo-N-(2-phenoxyphenyl)acetamide
PubChem CID71490575
Molecular FormulaC21H18BrNO2
Molecular Weight396.28 g/mol
Exact Mass395.05
IUPAC NameN-benzyl-2-bromo-N-(2-phenoxyphenyl)acetamide
SMILESO=C(CBr)N(Cc1ccccc1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C21H18BrNO2/c22-15-21(24)23(16-17-9-3-1-4-10-17)19-13-7-8-14-20(19)25-18-11-5-2-6-12-18/h1-14H,15-16H2
InChIKeySWKJSBIKSDCNMA-UHFFFAOYSA-N
XLogP5.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.28
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-benzyl-N-(2-methoxyphenyl)acetamide
CID 39369464
N-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]-2-(18F)fluoro-N-(2-phenoxyphenyl)acetamide
CID 53246107
N-benzyl-2-(18F)fluoro-N-(2-phenoxy-3-pyridinyl)acetamide
CID 58029265
1-[(2-methoxyphenyl)methyl]-1-(2-phenoxyphenyl)urea
CID 18407217
2-fluoro-N-(2-phenoxyphenyl)-N-tridecylacetamide
CID 122591106
2-fluoro-N-hexyl-N-(2-phenoxyphenyl)acetamide
CID 122591136
N-benzyl-N-methyl-2-phenoxybenzamide
CID 3401624
2-(2-methoxyethoxy)-N-methyl-N-(2-phenoxyphenyl)acetamide
CID 60622495
2-bromo-N-(bromomethyl)-N-phenylacetamide
CID 67892280
2-(2-phenoxy-N-[4-phenyl-2-(sulfanylmethyl)butanoyl]anilino)acetic acid
CID 22120802
(111C)methyl 2-[(N-acetyl-2-phenoxyanilino)methyl]benzoate
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N-[(2,3-dimethoxyphenyl)methyl]-N-(2-phenoxyphenyl)acetamide
CID 71198512

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-bromo-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of N-benzyl-2-bromo-N-(2-phenoxyphenyl)acetamide (CID 71490575) is N-benzyl-2-bromo-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for N-benzyl-2-bromo-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for N-benzyl-2-bromo-N-(2-phenoxyphenyl)acetamide is O=C(CBr)N(Cc1ccccc1)c1ccccc1Oc1ccccc1.
What is the InChIKey of N-benzyl-2-bromo-N-(2-phenoxyphenyl)acetamide?
The InChIKey is SWKJSBIKSDCNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrNO2/c22-15-21(24)23(16-17-9-3-1-4-10-17)19-13-7-8-14-20(19)25-18-11-5-2-6-12-18/h1-14H,15-16H2.
What are the key properties of N-benzyl-2-bromo-N-(2-phenoxyphenyl)acetamide?
N-benzyl-2-bromo-N-(2-phenoxyphenyl)acetamide has a molecular weight of 396.28 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-bromo-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 71490575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).